1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-
- 中文别名:α-水芹烯,天然品
- 中文释义:α-水芹烯;Alpha-水芹烯,天然品
- 英文别名:α-phellandrene;
alpha-phellandrene;
5-isopropyl-2-methylcyclohexa-1,3-diene;
ISONICOTINIC ACID,3-THUJYLIDENEHYDRAZIDE;
(3R,5R)-(+)-2,6-DIMETHYL-3,5-HEPTANEDIOL;
3-Thujylidenehydrazide of isonicotinic acid;
2-Methyl-5-isopropyl-3-isonicotinoylhydrazono-bicyclo[3.1.0]hexan;
5-isopropyl-2-methyl-1,3-cyclohexadiene;
2-methyl-5-isopropylcyclohexa-1,3-diene
- CAS No.:99-83-2
- 分子式:
C10H16
- 分子量:136.23
- 精确分子量:136.12500
- PSA:0.00000
- MDL:MFCD00040419
- InChI:The Key: OGLDWXZKYODSOB-JTQLQIEISA-N
- 分子结构式:
物化性质
- 密度:
- 0.85 g/mL at 25ºC(lit.)
- 沸点:
- 171.5ºC at 760 mmHg
- 闪点:
- 117 °F
- 折射率:
- n20/D 1.474(lit.)
安全信息
- 密度:
- 0.85 g/mL at 25ºC(lit.)
- 沸点:
- 171.5ºC at 760 mmHg
- 闪点:
- 117 °F
- 折射率:
- n20/D 1.474(lit.)
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OS8080000
- CHEMICAL NAME :
- p-Mentha-1,5-diene
- CAS REGISTRY NUMBER :
- 99-83-2
- BEILSTEIN REFERENCE NO. :
- 1280394
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H16
- MOLECULAR WEIGHT :
- 136.26
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Human - man
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,843,1978 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,843,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2097 No. of Facilities: 361 (estimated) No. of Industries: 9 No. of Occupations: 8 No. of Employees: 13236 (estimated) No. of Female Employees: 2826 (estimated)
MSDS
SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: α-Phellandrene
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 99-83-2
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances
SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable liquids (Category 3), H226
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Respiratory sensitisation (Category 1), H334
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn, F Harmful, FlammableR10, R22, R36/37/38, R43
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
H226Flammable liquid and vapour.
H302Harmful if swallowed.
H315Causes skin irritation.
H319Causes serious eye irritation.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing vapours.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
Other hazards
Rapidly absorbed through skin.
SECTION 3: Composition/information on ingredients
Substances
Formula: C10H16
Molecular Weight: 136,23 g/mol
CAS-No.: 99-83-2
EC-No.: 202-792-5
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
p-Mentha-1,5-diene
CAS-No.99-83-2Flam. Liq. 3; Acute Tox. 4;50 - 100 %
EC-No.202-792-5Skin Irrit. 2; Eye Irrit. 2; Resp.
Sens. 1; STOT SE 3; H226,
H302, H315, H319, H334,
H335
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
p-Mentha-1,5-diene
CAS-No.99-83-2Xn, F, R10 - R22 - R36/37/38 - 50 - 100 %
EC-No.202-792-5R43
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16
SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available
SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.
SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.
SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Air and light sensitive.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated
SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 171,5 °C at 1.013 hPa
boiling range
g) Flash point47 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density0,85 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n-log Pow: 2,36 - The preceding data, or interpretation of data, was
octanol/waterdetermined using Quantitative Structure Activity Relationship (QSAR)
modeling.
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available
SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5
SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Inhalation: no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: OS8080000
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, To the
best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
SECTION 12: Ecological information
Toxicity
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available
SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.
SECTION 14: Transport information
UN number
ADR/RID: 2319IMDG: 2319IATA: 2319
UN proper shipping name
ADR/RID: TERPENE HYDROCARBONS, N.O.S.
IMDG: TERPENE HYDROCARBONS, N.O.S.
IATA:Terpene hydrocarbons, n.o.s.
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available
SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out
SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox.Acute toxicity
Eye Irrit.Eye irritation
Flam. Liq.Flammable liquids
H226Flammable liquid and vapour.
H302Harmful if swallowed.
H315Causes skin irritation.
H319Causes serious eye irritation.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335May cause respiratory irritation.
Resp. Sens.Respiratory sensitisation
Skin Irrit.Skin irritation
STOT SESpecific target organ toxicity - single exposure
Full text of R-phrases referred to under sections 2 and 3
FFlammable
XnHarmful
R10Flammable.
R22Harmful if swallowed.
R36/37/38Irritating to eyes, respiratory system and skin.
R43May cause sensitisation by skin contact.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.
海关数据
中国海关编码:2902199090
- 概述:
- 2902199090 其他环烷烃、环烯烃及环萜烯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
- 申报要素:
- 品名, 成分含量
- 摘要/Summary:
- 2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:45.44
2、 摩尔体积(cm3/mol):163.1
3、 等张比容(90.2K):368.3
4、 表面张力(dyne/cm):25.9
5、 极化率(10-24cm3):18.01