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13048-33-4

13048-33-4结构式
13048-33-4结构式

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中文名 1,6-己二醇二丙烯酸酯
英文名 Hexamethylene diacrylate
中文别名 1.6-已二醇二丙烯酸酯
1,6-双(丙烯酰氧基)己烷
1,4-己二醇二丙烯酸酯
二丙烯酸1,6-己二醇酯
二丙烯酸-1,6-己二醇酯
英文别名 hexane-1,6-diyl bisprop-2-enoate
Hexane-1,6-diyl bisacrylate
EINECS 235-921-9
Hexane-1,6-diyl diacrylate
1,6-Hexanediyl bisacrylate
1,6-Bis(acryloyloxy)hexane
Hexamethylene Glycol Diacrylate
2-Propenoic acid, 1,6-hexanediyl ester
1,6-Hexanediol diacrylate
6-prop-2-enoyloxyhexyl prop-2-enoate
MFCD00008631
密度 1.0±0.1 g/cm3
沸点 302.1±25.0 °C at 760 mmHg
熔点 6°C
分子式 C12H18O4
分子量 226.269
闪点 142.3±21.6 °C
精确质量 226.120514
PSA 52.60000
LogP 2.96
外观性状 透明黄色液体
蒸汽密度 >1 (vs air)
蒸汽压 0.0±0.6 mmHg at 25°C
折射率 1.454
储存条件

常温密闭避光,通风干燥处

稳定性

常温常压下稳定

避免的物料 氧化物 水分/潮湿 酸 光 热

水溶解性 水溶性:实际上不溶;可溶于:丙酮
分子结构

1、 摩尔折射率:60.64

2、 摩尔体积(m3/mol):223.7

3、 等张比容(90.2K):537.0

4、 表面张力(dyne/cm):33.1

5、 极化率(10-24cm3):24.04

计算化学

1.疏水参数计算参考值(XlogP):2.6

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积52.6

7.重原子数量:16

8.表面电荷:0

9.复杂度:219

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1. 性状:纯净液体

2. 密度(g/mL, 25 ℃ ):1.01

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):6

5. 沸点(ºC,常压):295

6. 沸点(ºC,30mmHg):未确定

7. 折射率:1.456

8. 闪点(ºC):>110

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(20ºC):未确定

12. 饱和蒸气压(kPa,60ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:未确定


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: 1,6-Hexanediol diacrylate
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.: 13048-33-4
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
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Skin sensitisation (Category 1), H317
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
Xi IrritantR36/38
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 wordWarning
Hazard statement(s)
H315Causes skin irritation.
H317May cause an allergic skin reaction.
H319Causes serious eye irritation.
Precautionary statement(s)
P280Wear protective gloves.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazardnone
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Synonyms: HDODA
Formula: C12H18O4
Molecular weight: 226,27 g/mol
CAS-No.: 13048-33-4
EC-No.: 235-921-9
Index-No.: 607-109-00-8
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
Hexamethylene diacrylate
CAS-No.13048-33-4Skin Irrit. 2; Eye Irrit. 2; Skin<= 100 %
EC-No.235-921-9Sens. 1; H315, H317, H319
Index-No.607-109-00-8
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
Hexamethylene diacrylate
CAS-No.13048-33-4Xi, R36/38 - R43<= 100 %
EC-No.235-921-9
Index-No.607-109-00-8
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
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 firefighting if necessary.
Further information
No data available

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.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
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.
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.
Light sensitive.
Storage class (TRGS 510): Combustible liquids
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.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,4 mm
Break through time: 480 min
Material tested:Camatril® (KCL 730 / Z677442, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,2 mm
Break through time: 66 min
Material tested:Dermatril® P (KCL 743 / Z677388, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300 test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Complete suit protecting against chemicals, 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
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/freezingMelting point/freezing point: 5 °C
point
f) Initial boiling point and 107 °C at 0,3 hPa
boiling range
g) Flash point113 °C - closed cup
h) Evaporation rateNo data available
i) Flammability (solid, gas) No data available
j) Upper/lowerNo data available
flammability or
explosive limits
k) Vapour pressure< 0,01 hPa at 20 °C
l) Vapour density7,81 - (Air = 1.0)
m) Relative density1,01 g/cm3 at 25 °C
n) Water solubility0,36 g/l at 20 °C - slightly soluble
o) Partition coefficient: n- log Pow: 2,81 at 25 °C
octanol/water
p) Auto-ignition235 °C at 1.013,25 hPa
temperature
q) DecompositionNo data available
temperature
r) ViscosityNo data available
s) Explosive propertiesNo data available
t) Oxidizing propertiesNo data available
Other safety information
Relative vapour density 7,81 - (Air = 1.0)

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
Keep away from direct sunlight.
Incompatible materials
Oxidizing agentsStrong bases, Strong oxidizing agents, Peroxides, Copper, Iron oxides
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
LD50 Oral - Rat - 5.000 mg/kg
LC0 Inhalation - Rat - male and female - 7 h - 0,41 mg/l
LD50 Dermal - Rabbit - 3.650 mg/kg
(OECD Test Guideline 402)
Skin corrosion/irritation
Skin - Rabbit
Result: Irritating to skin. - 4 h
(OECD Test Guideline 404)
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
Maximisation Test (GPMT) - Guinea pig
Result: May cause sensitisation by skin contact.
(OECD Test Guideline 406)
Germ cell mutagenicity
Mouse
lymphocyte
Result: negative
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
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
Repeated dose toxicity - Rat - male and female - Oral - No observed adverse effect level - 250 mg/kg
RTECS: AT1430000
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
Toxicity to fishstatic test LC50 - Leuciscus idus (Golden orfe) - 4,6 - 10 mg/l - 96 h
(DIN 38412)
Toxicity to daphnia and static test EC50 - Daphnia magna (Water flea) - 2,6 mg/l - 48 h
other aquatic
invertebrates
Toxicity to algaestatic test EC50 - Desmodesmus subspicatus (Scenedesmus subspicatus) - 1,5
mg/l - 72 h
Toxicity to bacteriaRespiration inhibition EC50 - Sludge Treatment - ca. 270 mg/l - 30 min
(OECD Test Guideline 209)
Persistence and degradability
Biodegradabilityaerobic - Exposure time 28 d
Result: 60 - 70 % - Readily biodegradable.
(OECD Test Guideline 310)
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
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: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
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.
Eye Irrit.Eye irritation
H315Causes skin irritation.
H317May cause an allergic skin reaction.
H319Causes serious eye irritation.
Skin Irrit.Skin irritation
Skin Sens.Skin sensitisation
Full text of R-phrases referred to under sections 2 and 3
XiIrritant
R36/38Irritating to eyes 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.

毒理学数据:

1. 急性毒性:大鼠口服LD50: 5gm /kg;兔子皮肤LD50:3600uL/kg;

2. 皮肤眼睛刺激数据:兔子皮肤标准刺激测试:500 mg/24HREACTION SEVERITY : Severe

3. 其他多剂量毒性数据:兔子皮肤TDLo: 3 gm /kg/2W-I

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:通过皮肤接触可能造成敏化作用

生态学数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AT1430000
CHEMICAL NAME :
Acrylic acid, hexamethylene ester
CAS REGISTRY NUMBER :
13048-33-4
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C12-H18-O4
MOLECULAR WEIGHT :
226.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 19,149,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 19,149,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3600 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 19,149,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3 gm/kg/2W-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555406 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3645 No. of Facilities: 525 (estimated) No. of Industries: 6 No. of Occupations: 8 No. of Employees: 7874 (estimated) No. of Female Employees: 1281 (estimated)

符号 GHS07
GHS07
信号词 Warning
危害声明 H315-H317-H319
警示性声明 P280-P305 + P351 + P338
个人防护装备 Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲) Xi:Irritant;
风险声明 (欧洲) R36/38;R43
安全声明 (欧洲) S39
危险品运输编码 UN 3082 9/PG 3
WGK德国 2
RTECS号 AT1430000
危险类别 9.0
海关编码 2916190090

~32%

13048-33-4结构式

13048-33-4

文献:Stenlake; Waigh; Dewar; et al. European Journal of Medicinal Chemistry, 1981 , vol. 16, # 6 p. 515 - 524

~%

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13048-33-4

文献:Journal of Molecular Catalysis B: Enzymatic, , vol. 62, # 1 p. 80 - 89

~%

13048-33-4结构式

13048-33-4

文献:Journal of pharmaceutical sciences, , vol. 63, # 7 p. 1162 - 1163

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文献:Journal of pharmaceutical sciences, , vol. 63, # 7 p. 1162 - 1163
上游产品  3

下游产品  0

海关编码 2916190090
中文概述 2916190090 其他不饱和无环一元羧酸(包括其酸酐、酰卤化物,过氧化物和过氧酸以及它们的衍生物)。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素 品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件 A.入境货物通关单 B.出境货物通关单
检验检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%